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Naphthalene, 2,3-dichloro-1,4-bis(phenylethynyl)-
SpectraBase Compound ID HYA7WmbdhUl
InChI InChI=1S/C26H14Cl2/c27-25-23(17-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)24(26(25)28)18-16-20-11-5-2-6-12-20/h1-14H
InChIKey ZWTDXLTXTBEGSN-UHFFFAOYSA-N
Mol Weight 397.3 g/mol
Molecular Formula C26H14Cl2
Exact Mass 396.047256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ax0FLoAUyEO
Name Naphthalene, 2,3-dichloro-1,4-bis(phenylethynyl)-
Alternate Name(s) 2,3-bis(chloranyl)-1,4-bis(2-phenylethynyl)naphthalene
CAS Registry Number 80034-42-0
Comments Less than 3 mono-isotopic peaks
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Formula C26H14Cl2
InChI InChI=1S/C26H14Cl2/c27-25-23(17-15-19-9-3-1-4-10-19)21-13-7-8-14-22(21)24(26(25)28)18-16-20-11-5-2-6-12-20/h1-14H
InChIKey ZWTDXLTXTBEGSN-UHFFFAOYSA-N
Molecular Weight 397.304 g/mol
SMILES c1(C#Cc2ccccc2)c(c(Cl)c(c2c1cccc2)C#Cc1ccccc1)Cl
SPLASH splash10-0002-0009000000-1015b0ff677b54e5e814
Source of Spectrum B-34-1697-0
Wiley ID 1367667